In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 25th, 2006 | 18 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.55 | 2.94 | -13.09 | 2 | 5 | 0 | 71 | 258.306 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.55 | 2.93 | -13.97 | 2 | 5 | 0 | 71 | 258.306 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.55 | 3.37 | -30.82 | 3 | 5 | 1 | 72 | 259.314 | 2 | ↓ |